UCSF

ZINC50523312

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2010 12 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.15 0.98 -45.89 4 4 1 66 175.252 8
Lo Low (pH 4.5-6) -0.15 2.32 -120.21 5 4 2 71 176.26 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )